Diethyl 2,2-dimethyl-3-oxobutanedioate
TL;DR: Diethyl 2,2-dimethyl-3-oxobutanedioate (CAS 6308-26-5) is a chemical compound with molecular formula C10H16O5 and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2-dimethyl-3-oxobutanedioate
Also Known As: Diethyl 2,2-dimethyl-3-oxosuccinate, diethyl 2,2-dimethyl-3-oxobutanedioate, Diethyl2,2-dimethyl-3-oxosuccinate, Diethyl 3,3-dimethyl-2-oxosuccinate, dimethyl-oxalacetic acid diethyl ester
| Molecular Formula | C10H16O5 |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 216.09978 |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 6308-26-5 |
|---|---|
| SMILES | CCOC(=O)C(=O)C(C)(C)C(=O)OCC |
| InChIKey | JLCIFXYVIHWGNY-UHFFFAOYSA-N |
Product Overview
Diethyl 2,2-dimethyl-3-oxobutanedioate (CAS 6308-26-5), with molecular formula C10H16O5 and molecular weight 216.10 g/mol. IUPAC: diethyl 2,2-dimethyl-3-oxobutanedioate.
Chemical Property Profile of Diethyl 2,2-dimethyl-3-oxobutanedioate
Property Insights of Diethyl 2,2-dimethyl-3-oxobutanedioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,2-dimethyl-3-oxobutanedioate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,2-dimethyl-3-oxobutanedioate. Following Lipinski's Rule of Five, Diethyl 2,2-dimethyl-3-oxobutanedioate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 2,2-dimethyl-3-oxobutanedioate?
The CAS number of Diethyl 2,2-dimethyl-3-oxobutanedioate is 6308-26-5.
What is the molecular formula of Diethyl 2,2-dimethyl-3-oxobutanedioate?
The molecular formula of Diethyl 2,2-dimethyl-3-oxobutanedioate is C10H16O5.
What is the molecular weight of Diethyl 2,2-dimethyl-3-oxobutanedioate?
The molecular weight of Diethyl 2,2-dimethyl-3-oxobutanedioate is 216.10 g/mol.
Where can I buy Diethyl 2,2-dimethyl-3-oxobutanedioate?
You can request a quote for Diethyl 2,2-dimethyl-3-oxobutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2-dimethyl-3-oxobutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2-dimethyl-3-oxobutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.